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	hartrees
Energy at 0K	-195.369391
Energy at 298.15K	-195.377865
HF Energy	-195.369391
Nuclear repulsion energy	167.746779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3126	3025	7.49
2	A'	3113	3012	41.87
3	A'	3079	2979	16.04
4	A'	3061	2962	39.83
5	A'	3035	2936	10.31
6	A'	1738	1682	32.06
7	A'	1501	1452	0.12
8	A'	1475	1427	1.67
9	A'	1443	1396	0.76
10	A'	1259	1218	0.13
11	A'	1223	1183	0.46
12	A'	1096	1060	0.79
13	A'	965	934	0.60
14	A'	913	883	45.12
15	A'	882	854	0.45
16	A'	745	721	1.67
17	A'	667	645	1.80
18	A'	386	374	7.20
19	A'	101	98	0.06
20	A"	3202	3098	11.49
21	A"	3082	2982	18.19
22	A"	3031	2933	44.82
23	A"	1461	1414	5.78
24	A"	1282	1240	0.02
25	A"	1241	1201	0.02
26	A"	1225	1185	0.48
27	A"	1188	1149	1.67
28	A"	1042	1008	0.11
29	A"	917	887	0.45
30	A"	908	878	2.06
31	A"	808	782	0.03
32	A"	640	619	0.05
33	A"	359	347	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.219	-0.395	1.093
C2	0.219	-0.395	-1.093
C3	-0.098	0.615	0.000
C4	0.219	-1.504	0.000
C5	-0.587	1.844	0.000
H6	-0.505	-0.488	1.902
H7	-0.505	-0.488	-1.902
H8	1.207	-0.239	1.530
H9	1.207	-0.239	-1.530
H10	-0.799	2.369	0.923
H11	-0.799	2.369	-0.923
H12	1.063	-2.190	0.000
H13	-0.703	-2.083	0.000

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
C1		2.1850	1.5210	1.5570	2.6183	1.0897	3.0819	1.0918	2.8066	2.9506	3.5693	2.2651	2.2121
C2	2.1850		1.5210	1.5570	2.6183	3.0819	1.0897	2.8066	1.0918	3.5693	2.9506	2.2651	2.2121
C3	1.5210	1.5210		2.1427	1.3229	2.2357	2.2357	2.1845	2.1845	2.1029	2.1029	3.0361	2.7649
C4	1.5570	1.5570	2.1427		3.4439	2.2746	2.2746	2.2175	2.2175	4.1102	4.1102	1.0882	1.0885
C5	2.6183	2.6183	1.3229	3.4439		3.0101	3.0101	3.1460	3.1460	1.0831	1.0831	4.3589	3.9288
H6	1.0897	3.0819	2.2357	2.2746	3.0101		3.8034	1.7696	3.8430	3.0345	4.0286	2.9960	2.4901
H7	3.0819	1.0897	2.2357	2.2746	3.0101	3.8034		3.8430	1.7696	4.0286	3.0345	2.9960	2.4901
H8	1.0918	2.8066	2.1845	2.2175	3.1460	1.7696	3.8430		3.0596	3.3461	4.1043	2.4837	3.0641
H9	2.8066	1.0918	2.1845	2.2175	3.1460	3.8430	1.7696	3.0596		4.1043	3.3461	2.4837	3.0641
H10	2.9506	3.5693	2.1029	4.1102	1.0831	3.0345	4.0286	3.3461	4.1043		1.8461	5.0113	4.5482
H11	3.5693	2.9506	2.1029	4.1102	1.0831	4.0286	3.0345	4.1043	3.3461	1.8461		5.0113	4.5482
H12	2.2651	2.2651	3.0361	1.0882	4.3589	2.9960	2.9960	2.4837	2.4837	5.0113	5.0113		1.7698
H13	2.2121	2.2121	2.7649	1.0885	3.9288	2.4901	2.4901	3.0641	3.0641	4.5482	4.5482	1.7698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C2	91.826	C1	C3	C5	133.933
C1	C4	C2	89.121	C1	C4	H12	116.697
C1	C4	H13	112.260	C2	C3	C5	133.933
C2	C4	H12	116.697	C2	C4	H13	112.260
C3	C1	C4	88.225	C3	C1	H6	116.850
C3	C1	H8	112.420	C3	C2	C4	88.225
C3	C2	H7	116.850	C3	C2	H9	112.420
C3	C5	H10	121.544	C3	C5	H11	121.544
C4	C1	H6	117.407	C4	C1	H8	112.502
C4	C2	H7	117.407	C4	C2	H9	112.502
H6	C1	H8	108.422	H7	C2	H9	108.422
H10	C5	H11	116.912	H12	C4	H13	108.792

All results from a given calculation for C₅H₈ (Cyclobutane, methylene-)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C5H8 (Cyclobutane, methylene-)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₅H₈ (Cyclobutane, methylene-)